2-[tert-butylcarbamoyl(2-morpholin-4-ylethyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(furan-2-ylmethyl)acetamide

C28H42N4O6 — CID 3340944

About 2-[tert-butylcarbamoyl(2-morpholin-4-ylethyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(furan-2-ylmethyl)acetamide

2-[tert-butylcarbamoyl(2-morpholin-4-ylethyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 3340944) has the molecular formula C28H42N4O6 and a molecular weight of 530.67 g/mol. Its IUPAC name is 2-[tert-butylcarbamoyl(2-morpholin-4-ylethyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

• Compound Name: 2-[tert-butylcarbamoyl(2-morpholin-4-ylethyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(furan-2-ylmethyl)acetamide
• PubChem CID: 3340944
• Molecular Formula: C28H42N4O6
• Molecular Weight: 530.67 g/mol
• Exact Mass: 530.31
• IUPAC Name: 2-[tert-butylcarbamoyl(2-morpholin-4-ylethyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(furan-2-ylmethyl)acetamide
• SMILES: COc1ccc(CCN(Cc2ccco2)C(=O)CN(CCN2CCOCC2)C(=O)NC(C)(C)C)cc1OC
• InChI: InChI=1S/C28H42N4O6/c1-28(2,3)29-27(34)32(13-12-30-14-17-37-18-15-30)21-26(33)31(20-23-7-6-16-38-23)11-10-22-8-9-24(35-4)25(19-22)36-5/h6-9,16,19H,10-15,17-18,20-21H2,1-5H3,(H,29,34)
• InChIKey: GFAMQHMEABESDB-UHFFFAOYSA-N
• XLogP: 3.01
• TPSA: 96.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 12
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	530.67
LogP ≤ 5	3.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butylcarbamoyl(2-morpholin-4-ylethyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(furan-2-ylmethyl)acetamide?

The IUPAC name of 2-[tert-butylcarbamoyl(2-morpholin-4-ylethyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(furan-2-ylmethyl)acetamide (CID 3340944) is 2-[tert-butylcarbamoyl(2-morpholin-4-ylethyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(furan-2-ylmethyl)acetamide.

What is the SMILES notation for 2-[tert-butylcarbamoyl(2-morpholin-4-ylethyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(furan-2-ylmethyl)acetamide?

The canonical SMILES for 2-[tert-butylcarbamoyl(2-morpholin-4-ylethyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(furan-2-ylmethyl)acetamide is COc1ccc(CCN(Cc2ccco2)C(=O)CN(CCN2CCOCC2)C(=O)NC(C)(C)C)cc1OC.

What is the InChIKey of 2-[tert-butylcarbamoyl(2-morpholin-4-ylethyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(furan-2-ylmethyl)acetamide?

The InChIKey is GFAMQHMEABESDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H42N4O6/c1-28(2,3)29-27(34)32(13-12-30-14-17-37-18-15-30)21-26(33)31(20-23-7-6-16-38-23)11-10-22-8-9-24(35-4)25(19-22)36-5/h6-9,16,19H,10-15,17-18,20-21H2,1-5H3,(H,29,34).

What are the key properties of 2-[tert-butylcarbamoyl(2-morpholin-4-ylethyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(furan-2-ylmethyl)acetamide?

2-[tert-butylcarbamoyl(2-morpholin-4-ylethyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 530.67 g/mol, XLogP of 3.01, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[tert-butylcarbamoyl(2-morpholin-4-ylethyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 3340944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).